1,2-dihydrobenzotriazol-4-one trihydrate

Systemtic Name: 1,2-dihydrobenzotriazol-4-one trihydrate Openeye Name: 1,2-dihydrobenzotriazol-4-one trihydrate CAS Name: 1,2-dihydrobenzotriazol-4-one trihydrate IUPAC Name: 1,2-dihydrobenzotriazol-4-one trihydrate Traditional Name: 1,2-dihydrobenzotriazol-4-one trihydrate Formula: C6H11N3O4 MolecularWeight: 189.16924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=NNNC2=C1.O.O.O

Isomeric SMILES

C1=CC(=O)C2=NNNC2=C1.O.O.O

InChI

InChI=1S/C6H5N3O.3H2O/c10-5-3-1-2-4-6(5)8-9-7-4;;;/h1-3,7,9H;3*1H2